ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate

C14H24N4O3 — CID 97029173

IUPACethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CNC(=O)c1cnc(C)[nH]1)CC(C)C
InChIInChI=1S/C14H24N4O3/c1-5-21-14(20)18-11(6-9(2)3)7-16-13(19)12-8-15-10(4)17-12/h8-9,11H,5-7H2,1-4H3,(H,15,17)(H,16,19)(H,18,20)/t11-/m1/s1
InChIKeyZJIJYDRXQUHMIV-LLVKDONJSA-N
MW296.37 g/mol
LogP1.61
Rot. Bonds7

About ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate

ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate (PubChem CID 97029173) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
PubChem CID97029173
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CNC(=O)c1cnc(C)[nH]1)CC(C)C
InChIInChI=1S/C14H24N4O3/c1-5-21-14(20)18-11(6-9(2)3)7-16-13(19)12-8-15-10(4)17-12/h8-9,11H,5-7H2,1-4H3,(H,15,17)(H,16,19)(H,18,20)/t11-/m1/s1
InChIKeyZJIJYDRXQUHMIV-LLVKDONJSA-N
XLogP1.61
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467419
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55934184
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 60566688
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate (CID 97029173) is ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate is CCOC(=O)N[C@@H](CNC(=O)c1cnc(C)[nH]1)CC(C)C.
What is the InChIKey of ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate?
The InChIKey is ZJIJYDRXQUHMIV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-21-14(20)18-11(6-9(2)3)7-16-13(19)12-8-15-10(4)17-12/h8-9,11H,5-7H2,1-4H3,(H,15,17)(H,16,19)(H,18,20)/t11-/m1/s1.
What are the key properties of ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate?
ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 97029173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).